SCHEMBL4253197

SCHEMBL4253197

CN(C)c1ccc2nc(-c3cc(-c4cnn(C)c4)cnc3N)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ MKNK1 Q9BUB5 2/20 0.49
▸ MKNK2 Q9HBH9 2/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ LRRK2 Q5S007 3/20 0.48
▸ MET P08581 3/20 0.47
▸ NPBWR1 P48145 1/20 0.47
▸ GRK2 P25098 1/20 0.46
▸ GRK5 P34947 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ MAP4K4 O95819 1/20 0.43
▸ TCF4 P15884 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ FYN P06241 2/20 0.43
▸ SLC2A1 P11166 2/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ KDR P35968 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2680389 0.86 CDK1 (0.52) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680942 0.84 CDK1 (0.70) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2681696 0.84 SLC2A1 (0.59) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2681983 0.84 LRRK2 (0.47) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680839 0.84 CDK2 (0.62) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2681943 0.82 MAP4K4 (0.62) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680723 0.82 MET (0.48) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL16390740 0.81 SLC2A1 (0.51) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680705 0.81 CDK1 (0.53) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680251 0.80 MAP4K4 (0.52) CDK1CDK2MKNK1MKNK2PDPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 — — EP disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 — — US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 CDK1 15/4885CDK2 10/4885MKNK1 782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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